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Peculiarities of the X-ray diffraction of oxygen-deficient perovskite-related materials with partial vacancy ordering

机译:缺氧钙钛矿相关材料的X射线衍射特征与部分空位有序

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摘要

X-ray diffraction patterns have been simulated for perovskite-Grenier phase and perovskite-brownmillerite coherent heterogeneous systems. Such systems occur as a result of partial ordering in oxygen-deficient perovskite-related materials. Calculations have been carried out on the basis of the model of 1D-disordered crystal. Simulation shows that main diffraction effect characteristic for both systems is appearance of broad peak of diffuse scat-tering between 110 diffraction peak of cubic perovskite and 113 diffraction peak of Grenier phase or 114 diffraction peak of brownmillerite.
机译:已经对钙钛矿-格里尼尔相和钙钛矿-褐米石相干非均相系统的X射线衍射图进行了模拟。这种系统的出现是由于缺氧钙钛矿相关材料的部分排序。根据一维无序晶体的模型进行了计算。仿真表明,这两种体系的主要衍射效应特征是在立方钙钛矿的110衍射峰与Grenier相的113衍射峰或褐铁矿的114衍射峰之间出现了漫射散射的宽峰。

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